Information card for entry 7224399

Structure parameters

• Formula: C9 H11 Cd N3 O8
• Calculated formula: C9 H11 Cd N3 O8
• Title of publication: Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand
• Authors of publication: Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 2347
• a: 14.2044 ± 0.0009 Å
• b: 7.8754 ± 0.0005 Å
• c: 22.2696 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No